Merge branch 'nixos-unstable-small' of https://github.com/NixOS/nixpkgs

9 files changed, 9 insertions, 0 deletions

diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/dftd4/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/dftd4/default.nix
index d791a7d4e3d6..087c6e7d01de 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/dftd4/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/dftd4/default.nix
@@ -46,6 +46,7 @@ stdenv.mkDerivation rec {
 
   meta = with lib; {
     description = "Generally Applicable Atomic-Charge Dependent London Dispersion Correction";
+    mainProgram = "dftd4";
     license = with licenses; [ lgpl3Plus gpl3Plus ];
     homepage = "https://github.com/grimme-lab/dftd4";
     platforms = platforms.linux;
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/harminv/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/harminv/default.nix
index 54c0d03979ab..dc8289e14ce9 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/harminv/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/harminv/default.nix
@@ -34,6 +34,7 @@ stdenv.mkDerivation rec {
 
   meta = with lib; {
     description = "Harmonic inversion algorithm of Mandelshtam: decompose signal into sum of decaying sinusoids";
+    mainProgram = "GDSIIConvert";
     homepage = "https://github.com/NanoComp/harminv";
     license = with licenses; [ gpl2Only ];
     maintainers = with maintainers; [ sheepforce markuskowa ];
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/libGDSII/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/libGDSII/default.nix
index c3257bad3e26..095e0ee182a3 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/libGDSII/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/libGDSII/default.nix
@@ -24,6 +24,7 @@ stdenv.mkDerivation rec {
 
   meta = with lib; {
     description = "Library and command-line utility for reading GDSII geometry files";
+    mainProgram = "GDSIIConvert";
     homepage = "https://github.com/HomerReid/libGDSII";
     license = [ licenses.gpl2Only ];
     maintainers = with maintainers; [ sheepforce markuskowa ];
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix
index a3726ea5e5dd..a8c27b3eec56 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/mctc-lib/default.nix
@@ -38,6 +38,7 @@ stdenv.mkDerivation rec {
 
   meta = with lib; {
     description = "Modular computation tool chain library";
+    mainProgram = "mctc-convert";
     homepage = "https://github.com/grimme-lab/mctc-lib";
     license = licenses.asl20;
     platforms = platforms.linux;
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/molequeue/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/molequeue/default.nix
index b560ac16c698..5cd8669c5597 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/molequeue/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/molequeue/default.nix
@@ -26,6 +26,7 @@ stdenv.mkDerivation rec {
 
   meta = with lib; {
     description = "Desktop integration of high performance computing resources";
+    mainProgram = "molequeue";
     maintainers = with maintainers; [ sheepforce ];
     homepage = "https://github.com/OpenChemistry/molequeue";
     platforms = platforms.linux;
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix
index b90f073a4f2e..020390737139 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/multicharge/default.nix
@@ -45,6 +45,7 @@ stdenv.mkDerivation rec {
 
   meta = with lib; {
     description = "Electronegativity equilibration model for atomic partial charges";
+    mainProgram = "multicharge";
     license = licenses.asl20;
     homepage = "https://github.com/grimme-lab/multicharge";
     platforms = platforms.linux;
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix
index 9b37f14f1403..d146fa073dc3 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/openmm/default.nix
@@ -100,6 +100,7 @@ stdenv.mkDerivation rec {
 
   meta = with lib; {
     description = "Toolkit for molecular simulation using high performance GPU code";
+    mainProgram = "TestReferenceHarmonicBondForce";
     homepage = "https://openmm.org/";
     license = with licenses; [ gpl3Plus lgpl3Plus mit ];
     platforms = platforms.linux;
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix
index ae5e30d73608..d4f81e3a24cb 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/simple-dftd3/default.nix
@@ -44,6 +44,7 @@ stdenv.mkDerivation rec {
 
   meta = with lib; {
     description = "Reimplementation of the DFT-D3 program";
+    mainProgram = "s-dftd3";
     license = with licenses; [ lgpl3Only gpl3Only ];
     homepage = "https://github.com/dftd3/simple-dftd3";
     platforms = [ "x86_64-linux" ];
diff --git a/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/default.nix b/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/default.nix
index bea5793addbf..64374972c295 100644
--- a/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/default.nix
+++ b/nixpkgs/pkgs/development/libraries/science/chemistry/tblite/default.nix
@@ -67,6 +67,7 @@ stdenv.mkDerivation rec {
 
   meta = with lib; {
     description = "Light-weight tight-binding framework";
+    mainProgram = "tblite";
     license = with licenses; [ gpl3Plus lgpl3Plus ];
     homepage = "https://github.com/tblite/tblite";
     platforms = platforms.linux;